SCHEMBL7833347

SCHEMBL7833347

Cc1ccnc(NCCCN)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KARS1 Q15046 4/20 0.64
HRH3 Q9Y5N1 1/20 0.54
NOS2 P35228 1/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 2/20 0.50
STK17A Q9UEE5 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KAT2B Q92831 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
FERMT2 Q96AC1 1/20 0.42
KDM4E B2RXH2 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14125389 0.89 KARS1 (0.63) KARS1NOS2KMT2AMEN1POLB
SCHEMBL7108041 0.83 KDM4E (0.56) KARS1NOS2KMT2AMEN1POLB
SCHEMBL8277604 0.83 KDM4D (0.60) KARS1NOS2KMT2AMEN1POLB
SCHEMBL15830578 0.82 NOS2 (0.56) KARS1HRH3NOS2KMT2AMEN1
SCHEMBL18386507 0.81 KDM4E (0.58) KARS1NOS2KMT2AMEN1POLB
SCHEMBL1755683 0.80 KARS1 (1.00) KARS1
SCHEMBL11961829 0.80 NOS2 (0.57) KARS1NOS2KMT2AMEN1POLB
SCHEMBL24709836 0.80 KDM4D (0.54) KARS1NOS2KMT2AMEN1POLB
SCHEMBL7832301 0.80 HRH3 (0.51) KARS1HRH3NOS2STK17AFERMT2
SCHEMBL8277611 0.80 SMN1; SMN2 (0.51) KARS1NOS2KMT2AMEN1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124821-A1 COMPOUNDS AstraZeneca AB (SE) 2001-08-22 EP disclosed
WO-2000027842-A1 COMPOUNDS ASTRAZENECA AB (SE) 2000-05-18 WO disclosed
EP-0113572-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-02-03 EP disclosed
EP-0112707-B1 AMINOPYRIMIDINONE DERIVATIVES AS HISTAMINE H1-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-11-04 EP disclosed
US-4652650-A Pyridylaminoalkylamine intermediates SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-24 US disclosed
US-4548940-A Pyridylaminoalkylaminopyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-22 US disclosed
US-4547506-A 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-15 US disclosed
EP-0113572-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-18 EP disclosed
EP-0112707-A2 Aminopyrimidinone derivatives as histamine H1-antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-04 EP disclosed